[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C24H27ClN4O — CID 24817599

IUPAC[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1CCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C24H27ClN4O/c1-17-8-11-27(12-9-17)16-21-23(26-22-7-6-20(25)15-29(21)22)24(30)28-13-10-18-4-2-3-5-19(18)14-28/h2-7,15,17H,8-14,16H2,1H3
InChIKeyVHSPGSKJXFYTLF-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.42
Rot. Bonds3

About [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 24817599) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID24817599
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCC1CCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn23)CC1
InChIInChI=1S/C24H27ClN4O/c1-17-8-11-27(12-9-17)16-21-23(26-22-7-6-20(25)15-29(21)22)24(30)28-13-10-18-4-2-3-5-19(18)14-28/h2-7,15,17H,8-14,16H2,1H3
InChIKeyVHSPGSKJXFYTLF-UHFFFAOYSA-N
XLogP4.42
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

[6-chloro-3-[[(3R)-3-hydroxypiperidin-1-yl]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42513030
[6-chloro-3-[[2-hydroxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 28665695
6-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122290
(3S)-3-[[6-chloro-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]azepan-2-one
CID 56858711
(6-chloro-3-fluoroimidazo[1,2-a]pyridin-2-yl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157018467
1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]piperidine-3-carboxamide
CID 45204252
[6-chloro-3-[[2-(4-hydroxypiperidin-1-yl)ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 74558862
(4-chloro-1-methylpyrazol-3-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 728261
methyl (2S)-1-[[2-(azocane-1-carbonyl)-6-chloroimidazo[1,2-a]pyridin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 42286529
6-chloro-3-[(3-hydroxyazetidin-1-yl)methyl]-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 56879033
[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 94062326
3,4-dihydro-1H-isoquinolin-2-yl-(4-iodo-1-methylpyrazol-3-yl)methanone
CID 5087204

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 24817599) is [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is CC1CCN(Cc2c(C(=O)N3CCc4ccccc4C3)nc3ccc(Cl)cn23)CC1.
What is the InChIKey of [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is VHSPGSKJXFYTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-17-8-11-27(12-9-17)16-21-23(26-22-7-6-20(25)15-29(21)22)24(30)28-13-10-18-4-2-3-5-19(18)14-28/h2-7,15,17H,8-14,16H2,1H3.
What are the key properties of [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 422.96 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 24817599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).